#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3f n ALA 2 N 0.00 -3.45 -2.30 3.04 0.00 -1.26 -5.06 120.51 111.49 2k3f n ALA 2 Ca 0.00 1.95 -0.19 0.00 0.00 0.00 0.00 53.44 55.20 2k3f n ALA 2 Cb 0.00 -3.86 -0.00 0.00 0.00 0.00 0.00 19.45 15.59 2k3f n ALA 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k3f s LYS 3 N -0.73 2.95 -0.85 0.00 -0.14 -1.26 -5.02 119.74 114.70 2k3f s LYS 3 Ca -0.23 -1.14 -0.25 0.00 -1.36 0.00 0.00 55.97 52.99 2k3f s LYS 3 Cb 0.02 -2.75 -0.04 0.00 -1.68 0.00 0.00 37.83 33.37 2k3f s LYS 3 CO 0.61 -0.07 1.94 0.15 -0.76 0.00 0.00 175.35 177.22 2k3f s LYS 4 N -4.22 2.56 0.37 1.68 -0.14 -1.26 -4.95 119.74 113.77 2k3f s LYS 4 Ca 0.48 -0.13 -0.28 0.00 -1.36 0.00 0.00 55.97 54.69 2k3f s LYS 4 Cb -0.09 -4.94 -0.10 0.00 -1.68 0.00 0.00 37.83 31.01 2k3f s LYS 4 CO 0.31 -3.27 1.40 0.08 -0.76 0.00 0.00 175.35 173.11 2k3f s VAL 5 N 9.95 2.34 -0.07 3.17 1.01 -1.26 0.41 120.40 135.95 2k3f s VAL 5 Ca 0.70 0.34 0.02 0.00 0.00 0.00 0.00 61.98 63.03 2k3f s VAL 5 Cb -0.08 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 2k3f s VAL 5 CO 0.03 0.08 -0.04 0.00 0.00 0.00 0.00 175.10 175.16 2k3f n ALA 6 N 0.52 1.85 -3.24 5.51 0.00 0.31 -4.48 120.51 120.97 2k3f n ALA 6 Ca 0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 53.44 52.99 2k3f n ALA 6 Cb 0.41 0.29 -0.07 0.00 0.00 0.00 0.00 19.45 20.08 2k3f n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3f s ALA 7 N -2.14 -1.10 -0.11 0.00 0.00 0.30 -5.00 121.76 113.71 2k3f s ALA 7 Ca -0.08 0.49 -0.13 0.00 0.00 0.00 0.00 51.96 52.23 2k3f s ALA 7 Cb 0.02 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 2k3f s ALA 7 CO 0.18 -0.41 0.32 -0.65 0.00 0.00 0.00 175.76 175.20 2k3f s GLN 8 N -2.03 4.06 -0.70 0.00 -0.21 -1.26 -0.37 119.66 119.15 2k3f s GLN 8 Ca -0.08 0.18 0.05 0.00 0.02 0.00 0.00 55.36 55.53 2k3f s GLN 8 Cb -0.02 -3.34 0.17 0.00 1.00 0.00 0.00 33.01 30.82 2k3f s GLN 8 CO 0.01 0.43 0.49 0.42 -2.12 0.00 0.00 175.29 174.52 2k3f s ILE 9 N -0.13 2.82 -0.08 1.08 -1.09 0.22 -4.94 121.20 119.08 2k3f s ILE 9 Ca 0.19 -4.24 -0.27 0.00 -2.23 0.00 0.00 60.65 54.10 2k3f s ILE 9 Cb -0.14 -2.85 -0.02 0.00 -1.58 0.00 0.00 42.46 37.86 2k3f s ILE 9 CO 0.07 -1.01 0.89 -0.54 -1.23 0.00 0.00 174.94 173.11 2k3f s LYS 10 N -1.42 4.44 -0.25 2.79 1.02 -1.26 -1.37 119.74 123.70 2k3f s LYS 10 Ca 0.25 1.20 -0.13 0.00 0.02 0.00 0.00 55.97 57.31 2k3f s LYS 10 Cb -0.04 -3.50 0.08 0.00 -0.52 0.00 0.00 37.83 33.85 2k3f s LYS 10 CO -0.17 -0.14 0.60 -0.48 -0.92 0.00 0.00 175.35 174.24 2k3f s LEU 11 N 1.43 -0.71 -0.15 3.17 0.05 -0.17 -4.96 118.68 117.34 2k3f s LEU 11 Ca 0.45 1.33 -0.29 0.00 0.05 0.00 0.00 54.13 55.66 2k3f s LEU 11 Cb -0.19 2.04 -0.01 0.00 -2.05 0.00 0.00 46.19 45.99 2k3f s LEU 11 CO 0.20 -0.22 1.09 -1.10 -0.55 0.00 0.00 176.35 175.77 2k3f s GLN 12 N 1.72 4.32 -0.02 1.48 -0.21 -1.26 -2.02 119.66 123.67 2k3f s GLN 12 Ca -0.09 1.47 -0.00 0.00 0.02 0.00 0.00 55.36 56.75 2k3f s GLN 12 Cb -0.07 -3.61 0.02 0.00 1.00 0.00 0.00 33.01 30.35 2k3f s GLN 12 CO -0.18 -0.51 0.03 -0.51 -2.12 0.00 0.00 175.29 172.01 2k3f s LEU 13 N 2.69 1.36 -0.02 2.90 1.43 0.77 -4.88 118.68 122.93 2k3f s LEU 13 Ca 0.49 0.06 -0.36 0.00 -1.03 0.00 0.00 54.13 53.29 2k3f s LEU 13 Cb -0.19 0.01 -0.14 0.00 0.03 0.00 0.00 46.19 45.90 2k3f s LEU 13 CO 0.14 -0.09 1.64 -2.65 0.23 0.00 0.00 176.35 175.63 2k3f n PRO 14 N 3.78 1.71 -1.81 1.29 -0.02 -1.21 0.73 135.00 139.47 2k3f n PRO 14 Ca -0.22 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.46 2k3f n PRO 14 Cb 0.54 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 2k3f n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k3f s ALA 15 N 2.27 3.79 0.00 3.55 0.00 0.43 -0.26 121.76 131.55 2k3f s ALA 15 Ca 0.88 1.41 0.00 0.00 0.00 0.00 0.00 51.96 54.26 2k3f s ALA 15 Cb -0.83 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 18.58 2k3f s ALA 15 CO 0.50 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.63 2k3f n GLY 16 N 4.02 1.43 2.54 0.00 0.00 -1.25 -0.77 105.19 111.17 2k3f n GLY 16 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2k3f n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3f s LYS 17 N -0.09 0.21 -0.29 1.61 -0.14 0.64 -4.98 119.74 116.70 2k3f s LYS 17 Ca 0.00 -0.55 -0.20 0.00 -1.36 0.00 0.00 55.97 53.86 2k3f s LYS 17 Cb 0.00 -1.15 0.13 0.00 -1.68 0.00 0.00 37.83 35.13 2k3f s LYS 17 CO 0.00 -1.03 0.99 0.00 -0.76 0.00 0.00 175.35 174.55 2k3f s ALA 18 N 2.07 -2.11 0.00 5.17 0.00 -1.26 -3.31 121.76 122.31 2k3f s ALA 18 Ca 0.09 2.06 0.00 0.00 0.00 0.00 0.00 51.96 54.12 2k3f s ALA 18 Cb -0.16 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.39 2k3f s ALA 18 CO -0.35 -0.29 0.00 -2.37 0.00 0.00 0.00 175.76 172.74 2k3f n THR 19 N 3.03 0.00 -4.12 0.00 5.66 -1.26 -4.68 114.28 112.91 2k3f n THR 19 Ca -0.16 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.50 2k3f n THR 19 Cb 0.57 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.25 2k3f n THR 19 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2k3f s PRO 20 N -1.85 3.67 0.00 1.09 0.04 -1.26 -4.58 135.00 132.12 2k3f s PRO 20 Ca 0.00 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.69 2k3f s PRO 20 Cb 0.00 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.46 2k3f s PRO 20 CO 0.00 0.42 0.00 0.00 0.04 0.00 0.00 177.00 177.46 2k3f n ALA 21 N 3.05 0.00 0.11 8.56 0.00 -1.26 -2.35 120.51 128.63 2k3f n ALA 21 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.16 2k3f n ALA 21 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 2k3f n ALA 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2k3f h PRO 22 N 0.00 -0.51 0.03 0.00 0.11 -1.97 -2.09 132.00 127.57 2k3f h PRO 22 Ca 0.00 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 2k3f h PRO 22 Cb 0.00 0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.23 2k3f h PRO 22 CO 0.00 -0.34 -0.01 -1.00 -0.21 0.00 0.00 178.00 176.44 2k3f h PRO 23 N -0.53 -0.03 0.12 1.05 0.13 -1.94 -3.42 132.00 127.37 2k3f h PRO 23 Ca -0.02 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.94 2k3f h PRO 23 Cb 0.50 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.65 2k3f h PRO 23 CO -0.12 0.65 -0.80 0.28 -0.23 0.00 0.00 178.00 177.78 2k3f h VAL 24 N -0.94 1.48 -0.49 1.56 2.07 -1.59 -3.24 116.25 115.09 2k3f h VAL 24 Ca -0.00 -2.49 0.05 0.00 0.82 0.00 0.00 66.70 65.07 2k3f h VAL 24 Cb 0.70 3.15 -0.06 0.00 -1.52 0.00 0.00 31.29 33.56 2k3f h VAL 24 CO 0.01 0.69 -0.31 1.23 0.02 0.00 0.00 177.57 179.21 2k3f h GLY 25 N -0.41 -1.72 0.88 2.17 0.00 -1.35 -1.70 103.07 100.94 2k3f h GLY 25 Ca -0.15 0.96 0.02 0.00 0.00 0.00 0.00 47.33 48.16 2k3f h GLY 25 CO 0.11 -0.47 0.09 -2.55 0.00 0.00 0.00 176.54 173.73 2k3f h PRO 26 N -0.02 0.20 0.00 4.80 0.11 -1.72 -1.44 132.00 133.94 2k3f h PRO 26 Ca 0.08 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2k3f h PRO 26 Cb 0.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.29 2k3f h PRO 26 CO -0.48 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 177.45 2k3f n ALA 27 N -2.21 0.00 0.07 -0.75 0.00 -0.67 -2.89 120.51 114.06 2k3f n ALA 27 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 2k3f n ALA 27 Cb 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.43 2k3f n ALA 27 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2k3f h LEU 28 N 0.00 0.00 -0.42 0.00 -0.00 -1.64 -3.35 115.31 109.90 2k3f h LEU 28 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.75 2k3f h LEU 28 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 2k3f h LEU 28 CO 0.00 0.86 -0.25 1.23 -0.00 0.00 0.00 178.44 180.27 2k3f h GLY 29 N 3.19 0.98 1.68 0.17 0.00 -1.41 -0.88 103.07 106.81 2k3f h GLY 29 Ca -0.03 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.38 2k3f h GLY 29 CO 0.11 0.83 0.00 -1.06 0.00 0.00 0.00 176.54 176.42 2k3f n GLN 30 N -4.16 0.10 -0.52 4.80 6.02 -0.61 -0.06 117.38 122.95 2k3f n GLN 30 Ca -0.01 0.23 0.08 0.00 -0.01 0.00 0.00 57.00 57.29 2k3f n GLN 30 Cb 0.47 -1.50 0.29 0.00 1.02 0.00 0.00 30.24 30.52 2k3f n GLN 30 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2k3f n HIS 31 N -1.34 1.20 -1.56 1.08 8.25 -0.39 -4.96 115.22 117.51 2k3f n HIS 31 Ca 0.04 -0.69 -0.11 0.00 -0.26 0.00 0.00 57.72 56.70 2k3f n HIS 31 Cb 0.08 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 30.89 2k3f n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k3f n GLY 32 N 0.41 0.86 0.11 -1.41 0.00 0.92 -4.90 105.19 101.18 2k3f n GLY 32 Ca 0.22 -0.50 -0.03 0.00 0.00 0.00 0.00 46.02 45.70 2k3f n GLY 32 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k3f h VAL 33 N 0.00 1.55 -1.32 1.61 2.07 -1.55 -3.45 116.25 115.15 2k3f h VAL 33 Ca -0.23 -2.61 0.00 0.00 0.82 0.00 0.00 66.70 64.68 2k3f h VAL 33 Cb 0.84 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 2k3f h VAL 33 CO 0.32 0.75 0.00 -3.20 0.02 0.00 0.00 177.57 175.46 2k3f n ASN 34 N -3.63 -0.88 -0.22 0.57 2.85 -1.26 -4.76 115.26 107.92 2k3f n ASN 34 Ca -0.01 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.47 2k3f n ASN 34 Cb 0.74 -0.44 0.09 0.00 1.24 0.00 0.00 39.78 41.41 2k3f n ASN 34 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 2k3f h ILE 35 N 0.00 0.38 -0.25 -1.44 1.08 -1.93 0.34 117.51 115.69 2k3f h ILE 35 Ca 0.00 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 2k3f h ILE 35 Cb 0.03 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 34.10 2k3f h ILE 35 CO 0.00 0.01 0.07 0.24 -0.69 0.00 0.00 178.15 177.78 2k3f h MET 36 N 0.04 0.39 -0.66 2.37 2.86 -1.95 0.56 114.93 118.54 2k3f h MET 36 Ca 0.33 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.86 2k3f h MET 36 Cb 0.53 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 2k3f h MET 36 CO -0.64 0.48 0.31 1.49 1.06 0.00 0.00 176.91 179.61 2k3f h GLU 37 N 0.23 0.96 0.13 1.72 4.81 -1.68 0.52 114.58 121.28 2k3f h GLU 37 Ca 0.08 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2k3f h GLU 37 Cb 0.26 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2k3f h GLU 37 CO -0.00 0.77 -0.20 0.35 -0.73 0.00 0.00 179.01 179.20 2k3f h PHE 38 N 0.92 -0.52 -0.38 0.92 3.57 -0.17 -0.97 116.94 120.31 2k3f h PHE 38 Ca 0.23 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.77 2k3f h PHE 38 Cb 0.13 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 2k3f h PHE 38 CO 0.01 -0.29 0.17 0.00 -2.23 0.00 0.00 178.31 175.96 2k3f h LYS 40 N 0.35 0.00 0.07 0.00 3.64 0.14 -0.61 116.57 120.16 2k3f h LYS 40 Ca 0.17 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2k3f h LYS 40 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2k3f h LYS 40 CO -0.14 0.06 -0.03 0.00 -2.27 0.00 0.00 179.45 177.06 2k3f h ARG 41 N 0.00 -0.09 -0.80 1.90 3.08 0.35 -3.14 114.38 115.68 2k3f h ARG 41 Ca -0.00 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.11 2k3f h ARG 41 Cb 0.32 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.34 2k3f h ARG 41 CO 0.01 -0.06 0.49 0.35 -1.07 0.00 0.00 179.97 179.68 2k3f h PHE 42 N -0.47 0.90 0.15 3.04 3.04 0.29 0.24 116.94 124.13 2k3f h PHE 42 Ca -0.01 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 2k3f h PHE 42 Cb 0.07 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.29 2k3f h PHE 42 CO 0.02 0.46 -0.12 -0.91 -2.02 0.00 0.00 178.31 175.74 2k3f h ASN 43 N 0.90 -0.30 -0.90 0.41 -0.26 -1.30 0.31 115.58 114.43 2k3f h ASN 43 Ca 0.35 0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 56.09 2k3f h ASN 43 Cb 0.15 0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 37.47 2k3f h ASN 43 CO -0.17 -0.19 0.49 0.00 -1.06 0.00 0.00 177.43 176.51 2k3f h ALA 44 N 0.55 1.17 -0.17 -0.83 0.00 -1.16 -1.07 119.26 117.75 2k3f h ALA 44 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2k3f h ALA 44 Cb 0.25 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2k3f h ALA 44 CO -0.01 0.66 0.05 0.93 0.00 0.00 0.00 179.25 180.88 2k3f h GLU 45 N 1.26 0.27 -0.12 0.00 4.39 -0.13 -3.16 114.58 117.09 2k3f h GLU 45 Ca 0.32 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2k3f h GLU 45 Cb 0.03 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2k3f h GLU 45 CO -0.05 0.39 0.00 0.25 -1.16 0.00 0.00 179.01 178.44 2k3f n THR 46 N -4.81 0.15 -0.33 1.13 -2.24 0.10 -4.29 114.28 104.00 2k3f n THR 46 Ca -0.04 -0.30 0.19 0.00 -2.27 0.00 0.00 64.05 61.62 2k3f n THR 46 Cb 0.15 0.35 0.40 0.00 -2.10 0.00 0.00 70.33 69.13 2k3f n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k3f h ALA 47 N 4.09 1.73 0.00 6.98 0.00 -1.16 -0.21 119.26 130.70 2k3f h ALA 47 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2k3f h ALA 47 Cb 0.46 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k3f h ALA 47 CO 0.00 -0.45 -0.59 -0.44 0.00 0.00 0.00 179.25 177.77 2k3f h ASP 48 N 0.38 0.00 -0.35 0.00 3.32 -1.84 -3.16 116.42 114.77 2k3f h ASP 48 Ca 0.66 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.66 2k3f h ASP 48 Cb 1.39 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.91 2k3f h ASP 48 CO -0.57 0.00 0.02 0.29 -1.72 0.00 0.00 179.24 177.26 2k3f n LYS 49 N -2.83 3.06 -1.47 3.56 5.02 -0.33 -5.04 118.16 120.13 2k3f n LYS 49 Ca 0.02 -2.94 -0.37 0.00 -2.02 0.00 0.00 58.31 52.99 2k3f n LYS 49 Cb 0.54 -1.92 0.05 0.00 -0.02 0.00 0.00 35.03 33.68 2k3f n LYS 49 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k3f n ALA 50 N -0.45 -0.71 -0.33 7.82 0.00 -0.24 -3.71 120.51 122.89 2k3f n ALA 50 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2k3f n ALA 50 Cb 0.99 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2k3f n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3f n GLY 51 N 1.55 0.83 2.77 0.00 0.00 0.05 -4.93 105.19 105.45 2k3f n GLY 51 Ca 0.12 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 2k3f n GLY 51 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k3f s MET 52 N -0.69 0.28 -0.81 1.61 1.00 -1.24 -4.90 119.30 114.56 2k3f s MET 52 Ca 0.00 0.17 -0.25 0.00 0.00 0.00 0.00 55.69 55.60 2k3f s MET 52 Cb 0.00 -0.63 -0.08 0.00 0.00 0.00 0.00 34.83 34.13 2k3f s MET 52 CO 0.00 -0.23 2.13 0.42 0.00 0.00 0.00 175.02 177.34 2k3f s ILE 53 N 1.59 3.26 -0.12 2.53 -1.09 -1.26 0.16 121.20 126.27 2k3f s ILE 53 Ca -0.02 -0.16 -0.25 0.00 -2.23 0.00 0.00 60.65 57.99 2k3f s ILE 53 Cb -0.13 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 2k3f s ILE 53 CO -0.03 -0.56 0.80 -0.76 -1.23 0.00 0.00 174.94 173.17 2k3f s LEU 54 N 11.78 4.24 -0.42 2.97 1.43 0.22 -4.75 118.68 134.16 2k3f s LEU 54 Ca 0.79 1.23 -0.28 0.00 -1.03 0.00 0.00 54.13 54.85 2k3f s LEU 54 Cb -0.10 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.88 2k3f s LEU 54 CO 0.06 -0.29 1.82 -2.84 0.23 0.00 0.00 176.35 175.33 2k3f s PRO 55 N 1.58 3.11 -0.01 1.29 0.02 -1.26 -0.16 135.00 139.56 2k3f s PRO 55 Ca 0.39 1.18 -0.09 0.00 0.02 0.00 0.00 61.00 62.51 2k3f s PRO 55 Cb -0.17 -4.26 -0.05 0.00 0.02 0.00 0.00 34.50 30.04 2k3f s PRO 55 CO 0.16 -2.14 0.29 0.54 -0.33 0.00 0.00 177.00 175.53 2k3f s VAL 56 N 7.62 5.26 -0.27 3.83 0.11 -0.86 0.06 120.40 136.14 2k3f s VAL 56 Ca 0.76 0.34 -0.00 0.00 -2.93 0.00 0.00 61.98 60.15 2k3f s VAL 56 Cb -0.19 -3.58 0.05 0.00 -1.53 0.00 0.00 36.38 31.13 2k3f s VAL 56 CO 0.30 0.44 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.76 2k3f s VAL 57 N -1.22 2.67 -0.11 2.04 1.01 0.12 -1.00 120.40 123.91 2k3f s VAL 57 Ca 0.25 -1.39 -0.04 0.00 0.00 0.00 0.00 61.98 60.81 2k3f s VAL 57 Cb -0.14 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 2k3f s VAL 57 CO 0.14 -0.01 0.04 -0.63 0.00 0.00 0.00 175.10 174.64 2k3f s ILE 58 N 1.22 4.61 -0.41 2.22 1.01 -0.47 -0.14 121.20 129.24 2k3f s ILE 58 Ca -0.05 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.50 2k3f s ILE 58 Cb -0.19 -2.98 0.12 0.00 0.01 0.00 0.00 42.46 39.42 2k3f s ILE 58 CO -0.03 0.59 0.16 -0.89 0.00 0.00 0.00 174.94 174.76 2k3f s THR 59 N -0.72 2.08 0.01 2.92 2.01 0.14 0.69 115.64 122.78 2k3f s THR 59 Ca 0.12 -2.59 -0.22 0.00 0.31 0.00 0.00 61.69 59.31 2k3f s THR 59 Cb -0.12 -2.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 2k3f s THR 59 CO 0.02 -0.72 0.64 0.54 -0.69 0.00 0.00 174.62 174.41 2k3f s VAL 60 N 0.50 4.85 0.69 3.82 0.11 0.50 -2.46 120.40 128.40 2k3f s VAL 60 Ca 0.14 1.34 0.01 0.00 -2.93 0.00 0.00 61.98 60.55 2k3f s VAL 60 Cb -0.22 -3.98 0.12 0.00 -1.53 0.00 0.00 36.38 30.77 2k3f s VAL 60 CO -0.06 0.41 0.95 -0.31 -3.33 0.00 0.00 175.10 172.76 2k3f s TYR 61 N -0.22 1.60 0.60 1.54 2.02 0.18 0.11 117.35 123.19 2k3f s TYR 61 Ca 0.33 -0.35 0.30 0.00 -0.37 0.00 0.00 57.07 56.97 2k3f s TYR 61 Cb -0.19 -2.84 1.66 0.00 -0.40 0.00 0.00 41.96 40.19 2k3f s TYR 61 CO 0.19 -1.57 2.05 0.93 -1.57 0.00 0.00 175.55 175.58 2k3f h GLU 62 N -0.37 0.00 0.00 -0.62 4.39 -0.26 0.16 114.58 117.88 2k3f h GLU 62 Ca -0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.35 2k3f h GLU 62 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2k3f h GLU 62 CO 0.41 0.00 0.00 0.22 -1.16 0.00 0.00 179.01 178.48 2k3f h ASP 63 N 0.00 0.00 0.00 1.42 3.58 -1.93 -3.45 116.42 116.03 2k3f h ASP 63 Ca 0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2k3f h ASP 63 Cb 0.63 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.68 2k3f h ASP 63 CO -0.00 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 176.65 2k3f n LYS 64 N -2.43 0.00 -1.24 0.28 5.02 0.56 -5.06 118.16 115.29 2k3f n LYS 64 Ca 0.05 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.05 2k3f n LYS 64 Cb 0.44 -2.45 0.19 0.00 -0.02 0.00 0.00 35.03 33.19 2k3f n LYS 64 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2k3f s SER 65 N -2.47 2.17 0.11 4.39 0.15 -1.25 -4.31 113.70 112.50 2k3f s SER 65 Ca 0.00 0.89 -0.16 0.00 0.70 0.00 0.00 55.95 57.38 2k3f s SER 65 Cb 0.00 -1.36 0.06 0.00 -1.71 0.00 0.00 66.02 63.00 2k3f s SER 65 CO 0.00 -3.38 0.78 2.22 1.20 0.00 0.00 173.24 174.06 2k3f n PHE 66 N -4.30 -1.01 -3.88 3.44 -1.74 -1.26 0.52 117.46 109.22 2k3f n PHE 66 Ca 0.09 -0.86 -0.09 0.00 -0.56 0.00 0.00 57.45 56.02 2k3f n PHE 66 Cb 0.59 0.42 -0.01 0.00 1.52 0.00 0.00 39.48 42.00 2k3f n PHE 66 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 2k3f s THR 67 N -2.18 0.00 0.06 1.97 -4.23 -1.03 -4.96 115.64 105.28 2k3f s THR 67 Ca 0.18 -1.13 -0.26 0.00 -1.18 0.00 0.00 61.69 59.29 2k3f s THR 67 Cb -0.02 -2.51 0.09 0.00 1.34 0.00 0.00 72.50 71.40 2k3f s THR 67 CO 0.03 0.00 0.76 0.72 -0.54 0.00 0.00 174.62 175.59 2k3f s PHE 68 N -3.09 -0.44 0.15 3.99 -0.71 -1.26 -0.68 117.98 115.94 2k3f s PHE 68 Ca 0.17 0.30 0.03 0.00 -1.04 0.00 0.00 56.93 56.39 2k3f s PHE 68 Cb -0.04 0.54 -0.05 0.00 -1.21 0.00 0.00 43.02 42.26 2k3f s PHE 68 CO 0.11 -0.68 -0.06 0.42 -1.34 0.00 0.00 175.22 173.68 2k3f s ILE 69 N -3.28 0.93 -0.12 -4.49 1.09 0.80 -4.94 121.20 111.19 2k3f s ILE 69 Ca 0.03 -2.01 -0.02 0.00 -1.10 0.00 0.00 60.65 57.55 2k3f s ILE 69 Cb -0.01 -1.93 -0.03 0.00 -1.06 0.00 0.00 42.46 39.44 2k3f s ILE 69 CO -0.10 -0.67 -0.05 -0.63 -0.10 0.00 0.00 174.94 173.40 2k3f s ILE 70 N -3.48 3.83 -0.97 2.92 -1.09 -1.26 0.10 121.20 121.25 2k3f s ILE 70 Ca 0.18 -0.40 -0.23 0.00 -2.23 0.00 0.00 60.65 57.98 2k3f s ILE 70 Cb 0.04 -2.64 0.06 0.00 -1.58 0.00 0.00 42.46 38.35 2k3f s ILE 70 CO 0.01 0.54 1.37 -0.54 -1.23 0.00 0.00 174.94 175.09 2k3f s LYS 71 N -0.13 3.55 -0.58 2.79 -0.14 0.11 -4.94 119.74 120.39 2k3f s LYS 71 Ca 0.02 -1.16 -0.32 0.00 -1.36 0.00 0.00 55.97 53.16 2k3f s LYS 71 Cb -0.13 -5.16 -0.13 0.00 -1.68 0.00 0.00 37.83 30.73 2k3f s LYS 71 CO 0.03 -2.12 2.40 0.25 -0.76 0.00 0.00 175.35 175.15 2k3f n THR 72 N 6.58 0.05 -2.09 2.17 -2.24 -1.26 -4.43 114.28 113.06 2k3f n THR 72 Ca 0.28 -0.34 -0.36 0.00 -2.27 0.00 0.00 64.05 61.36 2k3f n THR 72 Cb 0.50 -1.63 0.02 0.00 -2.10 0.00 0.00 70.33 67.13 2k3f n THR 72 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2k3f s PRO 73 N 7.63 3.16 0.09 -0.78 0.04 -1.26 -4.80 135.00 139.09 2k3f s PRO 73 Ca 1.14 1.80 -0.18 0.00 0.04 0.00 0.00 61.00 63.80 2k3f s PRO 73 Cb -0.79 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 2k3f s PRO 73 CO 0.43 -1.04 0.99 -2.30 0.04 0.00 0.00 177.00 175.11 2k3f n PRO 74 N -1.35 -0.26 -0.01 0.56 -0.02 -1.26 -4.51 135.00 128.14 2k3f n PRO 74 Ca 0.12 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.57 2k3f n PRO 74 Cb 0.49 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 2k3f n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k3f n ALA 75 N -3.39 0.31 0.31 3.55 0.00 -1.26 -4.84 120.51 115.19 2k3f n ALA 75 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 2k3f n ALA 75 Cb 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.55 2k3f n ALA 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k3f h SER 76 N 0.00 -0.67 0.66 0.00 0.87 -1.99 0.26 113.55 112.69 2k3f h SER 76 Ca 0.00 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.48 2k3f h SER 76 Cb 0.29 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2k3f h SER 76 CO 0.00 -0.48 -0.50 -0.26 -0.53 0.00 0.00 176.83 175.06 2k3f h PHE 77 N -0.79 0.00 0.00 2.24 0.04 -1.97 -2.95 116.94 113.52 2k3f h PHE 77 Ca -0.08 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.48 2k3f h PHE 77 Cb 0.60 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.72 2k3f h PHE 77 CO 0.10 0.50 -1.15 -0.07 -0.60 0.00 0.00 178.31 177.09 2k3f h LEU 78 N 0.00 0.00 -0.40 1.54 -0.00 -1.89 -2.77 115.31 111.80 2k3f h LEU 78 Ca -0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.69 2k3f h LEU 78 Cb 0.97 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.63 2k3f h LEU 78 CO 0.07 0.84 -0.68 -0.07 -0.00 0.00 0.00 178.44 178.60 2k3f h LEU 79 N 0.00 0.61 -2.01 1.67 3.38 -0.45 -2.45 115.31 116.07 2k3f h LEU 79 Ca -0.10 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 2k3f h LEU 79 Cb 1.73 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.30 2k3f h LEU 79 CO 0.09 1.12 -0.04 0.11 0.09 0.00 0.00 178.44 179.81 2k3f h LYS 80 N 0.38 0.00 -0.10 1.13 1.57 -1.50 0.83 116.57 118.88 2k3f h LYS 80 Ca -0.02 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2k3f h LYS 80 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 2k3f h LYS 80 CO 0.12 0.04 -0.04 -0.22 -0.57 0.00 0.00 179.45 178.78 2k3f h LYS 81 N 0.00 -0.03 0.02 3.15 3.11 -1.14 -3.34 116.57 118.35 2k3f h LYS 81 Ca -0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2k3f h LYS 81 Cb 0.33 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 2k3f h LYS 81 CO 0.01 -0.02 -0.01 0.00 -2.81 0.00 0.00 179.45 176.61 2k3f h ALA 82 N 1.06 -0.03 -2.21 5.00 0.00 -1.34 -3.45 119.26 118.29 2k3f h ALA 82 Ca 0.05 -0.24 -0.56 0.00 0.00 0.00 0.00 54.91 54.17 2k3f h ALA 82 Cb 0.11 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2k3f h ALA 82 CO -0.12 -0.04 0.83 0.00 0.00 0.00 0.00 179.25 179.93 2k3f s ALA 83 N -2.55 3.60 -0.90 0.00 0.00 0.28 -4.86 121.76 117.33 2k3f s ALA 83 Ca -0.09 0.52 0.06 0.00 0.00 0.00 0.00 51.96 52.44 2k3f s ALA 83 Cb -0.01 -3.59 0.30 0.00 0.00 0.00 0.00 23.12 19.82 2k3f s ALA 83 CO 0.34 -1.03 1.00 0.41 0.00 0.00 0.00 175.76 176.49 2k3f n GLY 84 N 3.53 1.81 3.76 0.00 0.00 -1.26 -4.20 105.19 108.82 2k3f n GLY 84 Ca 0.13 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2k3f n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k3f s ILE 85 N -1.66 2.48 -0.07 -0.61 -4.36 -1.26 -4.93 121.20 110.79 2k3f s ILE 85 Ca 0.20 0.35 0.03 0.00 -0.26 0.00 0.00 60.65 60.97 2k3f s ILE 85 Cb 0.15 -3.17 0.09 0.00 1.25 0.00 0.00 42.46 40.78 2k3f s ILE 85 CO 0.07 -0.02 1.12 -0.62 0.24 0.00 0.00 174.94 175.73 2k3f n GLU 86 N -1.02 0.30 0.00 0.37 -0.58 -1.26 -4.89 120.64 113.56 2k3f n GLU 86 Ca 0.10 -1.06 0.00 0.00 -0.42 0.00 0.00 57.16 55.78 2k3f n GLU 86 Cb 0.47 0.47 0.00 0.00 -0.57 0.00 0.00 31.44 31.81 2k3f n GLU 86 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2k3f n LYS 87 N -0.33 0.00 0.00 3.49 4.76 -1.26 -5.17 118.16 119.65 2k3f n LYS 87 Ca -0.25 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.19 2k3f n LYS 87 Cb 0.74 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.93 2k3f n LYS 87 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k3f n GLY 88 N -1.49 -3.12 0.53 0.72 0.00 -1.26 -4.98 105.19 95.59 2k3f n GLY 88 Ca 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 46.02 44.17 2k3f n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k3f n SER 89 N -0.37 -0.14 -0.10 1.61 3.41 -1.26 -4.93 113.62 111.83 2k3f n SER 89 Ca 0.00 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 2k3f n SER 89 Cb 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 2k3f n SER 89 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2k3f n SER 90 N -3.14 0.00 -3.33 4.04 3.41 -1.26 -5.08 113.62 108.26 2k3f n SER 90 Ca 0.02 -1.05 0.02 0.00 -0.26 0.00 0.00 58.87 57.60 2k3f n SER 90 Cb 0.08 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 2k3f n SER 90 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2k3f s GLU 91 N 0.00 0.23 -0.04 4.33 2.02 -1.26 -5.06 118.70 118.91 2k3f s GLU 91 Ca 0.00 0.56 0.01 0.00 0.02 0.00 0.00 54.97 55.56 2k3f s GLU 91 Cb 0.00 0.34 0.10 0.00 0.10 0.00 0.00 34.13 34.67 2k3f s GLU 91 CO 0.00 -0.09 0.86 -0.35 0.02 0.00 0.00 175.26 175.70 2k3f n PRO 92 N 4.91 1.38 -3.67 0.39 -0.05 -1.26 -4.50 135.00 132.19 2k3f n PRO 92 Ca -0.08 -0.41 -0.11 0.00 -0.05 0.00 0.00 63.50 62.85 2k3f n PRO 92 Cb 0.53 -1.42 -0.09 0.00 -0.05 0.00 0.00 33.50 32.48 2k3f n PRO 92 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 175.50 175.60 2k3f s LYS 93 N -0.90 0.59 0.00 0.54 -0.14 -1.26 -4.84 119.74 113.72 2k3f s LYS 93 Ca 0.07 0.92 0.00 0.00 -1.36 0.00 0.00 55.97 55.61 2k3f s LYS 93 Cb 0.06 0.15 0.00 0.00 -1.68 0.00 0.00 37.83 36.36 2k3f s LYS 93 CO 0.02 -0.13 0.00 0.54 -0.76 0.00 0.00 175.35 175.02 2k3f n ARG 94 N 3.73 0.00 -1.04 1.68 5.12 -1.26 -4.53 116.66 120.35 2k3f n ARG 94 Ca -0.19 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.40 2k3f n ARG 94 Cb 0.57 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.84 2k3f n ARG 94 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2k3f n LYS 95 N 0.00 2.06 -0.20 5.56 4.81 -1.26 -4.87 118.16 124.27 2k3f n LYS 95 Ca 0.00 -1.78 0.00 0.00 -0.87 0.00 0.00 58.31 55.66 2k3f n LYS 95 Cb 0.00 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.31 2k3f n LYS 95 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2k3f n ILE 96 N 4.94 0.00 0.00 3.15 -5.35 -1.26 -4.48 119.36 116.36 2k3f n ILE 96 Ca 0.50 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.98 2k3f n ILE 96 Cb 0.27 -1.75 0.00 0.00 -1.74 0.00 0.00 39.64 36.42 2k3f n ILE 96 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 2k3f n VAL 97 N -1.37 0.00 -3.68 7.28 3.14 -1.11 -4.94 118.33 117.65 2k3f n VAL 97 Ca 0.00 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.35 2k3f n VAL 97 Cb 0.00 -0.33 -0.01 0.00 -1.06 0.00 0.00 33.84 32.43 2k3f n VAL 97 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2k3f s GLY 98 N -4.21 -0.31 0.32 7.55 0.00 -1.25 -4.94 107.32 104.48 2k3f s GLY 98 Ca 0.00 0.47 -0.17 0.00 0.00 0.00 0.00 44.72 45.02 2k3f s GLY 98 CO 0.00 0.10 0.70 -1.59 0.00 0.00 0.00 173.10 172.31 2k3f s LYS 99 N -2.97 1.94 0.00 2.90 0.00 -1.26 -2.66 119.74 117.69 2k3f s LYS 99 Ca 0.12 -1.25 0.00 0.00 0.00 0.00 0.00 55.97 54.84 2k3f s LYS 99 Cb 0.01 0.59 0.00 0.00 0.00 0.00 0.00 37.83 38.42 2k3f s LYS 99 CO -0.01 -0.89 0.00 1.33 0.00 0.00 0.00 175.35 175.78 2k3f n VAL 100 N -0.49 0.00 -4.20 1.79 0.24 -0.77 -4.62 118.33 110.29 2k3f n VAL 100 Ca -0.05 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.90 2k3f n VAL 100 Cb 0.60 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.89 2k3f n VAL 100 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2k3f s THR 101 N -2.78 4.66 0.36 3.34 -4.23 -1.26 0.11 115.64 115.84 2k3f s THR 101 Ca 0.00 -0.20 0.16 0.00 -1.18 0.00 0.00 61.69 60.47 2k3f s THR 101 Cb 0.00 -3.02 0.36 0.00 1.34 0.00 0.00 72.50 71.17 2k3f s THR 101 CO 0.00 0.54 1.70 -0.09 -0.54 0.00 0.00 174.62 176.23 2k3f h ARG 102 N 4.83 0.38 -0.51 3.99 2.43 -1.90 0.25 114.38 123.85 2k3f h ARG 102 Ca -0.51 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.67 2k3f h ARG 102 Cb 1.20 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.62 2k3f h ARG 102 CO 0.57 0.25 0.29 -0.22 -1.51 0.00 0.00 179.97 179.35 2k3f h LYS 103 N 0.39 0.55 0.68 0.20 1.63 -1.97 0.11 116.57 118.17 2k3f h LYS 103 Ca 0.69 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.42 2k3f h LYS 103 Cb 1.61 -0.12 0.01 0.00 -0.60 0.00 0.00 32.23 33.12 2k3f h LYS 103 CO -0.47 0.37 -0.33 0.37 -3.45 0.00 0.00 179.45 175.93 2k3f h GLN 104 N 0.57 -0.88 -0.34 1.90 -0.00 -0.99 -1.63 115.11 113.74 2k3f h GLN 104 Ca 0.21 0.06 0.04 0.00 -0.00 0.00 0.00 58.65 58.96 2k3f h GLN 104 Cb 0.06 0.20 -0.05 0.00 0.00 0.00 0.00 27.48 27.70 2k3f h GLN 104 CO -0.12 -0.59 -0.17 -0.89 0.00 0.00 0.00 178.83 177.06 2k3f n ILE 105 N -5.48 -0.21 0.03 2.39 2.08 0.02 -1.01 119.36 117.18 2k3f n ILE 105 Ca -0.14 0.80 -0.14 0.00 0.56 0.00 0.00 62.75 63.84 2k3f n ILE 105 Cb 0.37 -1.02 -0.07 0.00 -0.75 0.00 0.00 39.64 38.17 2k3f n ILE 105 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2k3f h GLU 106 N 0.00 -0.55 -0.50 0.38 4.81 0.12 0.66 114.58 119.50 2k3f h GLU 106 Ca 0.08 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.41 2k3f h GLU 106 Cb 0.16 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 2k3f h GLU 106 CO -0.32 -0.37 0.19 0.93 -0.73 0.00 0.00 179.01 178.71 2k3f h GLU 107 N -0.57 0.37 -0.02 1.92 5.08 -0.36 0.82 114.58 121.82 2k3f h GLU 107 Ca 0.05 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2k3f h GLU 107 Cb 0.67 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2k3f h GLU 107 CO -0.37 0.25 -0.03 0.82 -1.00 0.00 0.00 179.01 178.68 2k3f h ILE 108 N 0.38 0.91 -0.97 3.13 1.08 -0.72 -1.96 117.51 119.37 2k3f h ILE 108 Ca 0.24 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.84 2k3f h ILE 108 Cb 0.23 0.91 -0.09 0.00 -3.07 0.00 0.00 36.82 34.80 2k3f h ILE 108 CO -0.23 0.00 0.59 0.00 -0.69 0.00 0.00 178.15 177.82 2k3f h ALA 109 N 0.97 1.48 0.00 1.87 0.00 0.18 -2.57 119.26 121.19 2k3f h ALA 109 Ca 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2k3f h ALA 109 Cb 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2k3f h ALA 109 CO -0.05 0.13 -0.00 0.87 0.00 0.00 0.00 179.25 180.20 2k3f h LYS 110 N 0.90 -0.00 -0.10 0.00 1.57 0.11 0.42 116.57 119.45 2k3f h LYS 110 Ca 0.50 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.31 2k3f h LYS 110 Cb 0.57 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.81 2k3f h LYS 110 CO -0.29 0.19 -0.52 1.15 -0.57 0.00 0.00 179.45 179.40 2k3f h THR 111 N -0.20 0.02 -0.43 -0.16 2.02 -1.13 -2.25 112.91 110.79 2k3f h THR 111 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2k3f h THR 111 Cb 0.20 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 2k3f h THR 111 CO 0.00 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.18 2k3f n LYS 112 N -5.44 3.15 -0.32 6.66 4.01 -0.99 -4.39 118.16 120.84 2k3f n LYS 112 Ca -0.06 -2.03 0.03 0.00 -0.51 0.00 0.00 58.31 55.73 2k3f n LYS 112 Cb 0.38 -1.81 0.10 0.00 -0.51 0.00 0.00 35.03 33.19 2k3f n LYS 112 CO 0.00 0.00 0.00 1.98 -1.11 0.00 0.00 177.40 178.27 2k3f h MET 113 N 2.80 -0.01 0.00 1.97 4.05 0.48 0.32 114.93 124.54 2k3f h MET 113 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2k3f h MET 113 Cb 1.23 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.03 2k3f h MET 113 CO 0.22 -0.01 -0.03 -1.00 0.23 0.00 0.00 176.91 176.32 2k3f h PRO 114 N -0.01 0.00 0.00 0.39 0.13 -1.80 -0.92 132.00 129.80 2k3f h PRO 114 Ca 0.41 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.25 2k3f h PRO 114 Cb 0.64 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.73 2k3f h PRO 114 CO -0.92 0.03 -1.54 -0.25 -0.23 0.00 0.00 178.00 175.09 2k3f n ASP 115 N -3.18 1.89 0.00 1.44 9.92 -0.19 -4.01 116.55 122.42 2k3f n ASP 115 Ca -0.01 0.40 0.02 0.00 -0.53 0.00 0.00 54.79 54.67 2k3f n ASP 115 Cb 0.24 -0.93 0.11 0.00 -0.64 0.00 0.00 41.12 39.89 2k3f n ASP 115 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2k3f n LEU 116 N -4.37 0.00 -2.96 0.64 4.32 0.95 -4.79 117.00 110.79 2k3f n LEU 116 Ca -0.37 0.16 -0.16 0.00 -0.02 0.00 0.00 56.01 55.62 2k3f n LEU 116 Cb 0.73 -0.16 0.07 0.00 -1.62 0.00 0.00 43.42 42.44 2k3f n LEU 116 CO 0.16 -0.14 0.14 -3.20 -1.22 0.00 0.00 177.39 173.13 2k3f n ASN 117 N -1.16 -3.66 -4.64 -1.43 5.15 -1.07 -4.95 115.26 103.50 2k3f n ASN 117 Ca 0.02 -0.47 -0.42 0.00 -0.60 0.00 0.00 54.58 53.12 2k3f n ASN 117 Cb 0.02 -4.16 -0.04 0.00 -0.53 0.00 0.00 39.78 35.07 2k3f n ASN 117 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k3f s ALA 118 N -3.27 3.64 0.14 5.20 0.00 -0.37 -4.91 121.76 122.18 2k3f s ALA 118 Ca 0.22 -0.16 -0.13 0.00 0.00 0.00 0.00 51.96 51.88 2k3f s ALA 118 Cb -0.10 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.75 2k3f s ALA 118 CO 0.58 -0.95 1.62 -0.97 0.00 0.00 0.00 175.76 176.05 2k3f h ASN 119 N 7.72 0.76 -4.90 0.00 -1.24 -1.92 -3.45 115.58 112.55 2k3f h ASN 119 Ca -0.23 -0.27 -0.15 0.00 0.71 0.00 0.00 56.30 56.36 2k3f h ASN 119 Cb 1.09 -0.20 -0.21 0.00 0.73 0.00 0.00 38.32 39.73 2k3f h ASN 119 CO 0.87 0.84 -0.53 -0.94 -1.29 0.00 0.00 177.43 176.38 2k3f s SER 120 N -6.21 0.05 0.31 1.15 1.04 -1.26 -5.05 113.70 103.73 2k3f s SER 120 Ca -0.13 -0.22 0.07 0.00 0.48 0.00 0.00 55.95 56.15 2k3f s SER 120 Cb 0.11 0.19 0.80 0.00 0.10 0.00 0.00 66.02 67.22 2k3f s SER 120 CO 0.80 -0.34 1.76 0.25 0.98 0.00 0.00 173.24 176.70 2k3f h LEU 121 N 4.45 0.74 -0.92 2.42 7.12 -1.94 -0.68 115.31 126.50 2k3f h LEU 121 Ca -0.31 0.11 0.23 0.00 0.13 0.00 0.00 57.88 58.04 2k3f h LEU 121 Cb 1.20 -0.02 -0.13 0.00 -0.53 0.00 0.00 40.66 41.18 2k3f h LEU 121 CO 0.41 0.22 0.43 -0.33 -0.13 0.00 0.00 178.44 179.04 2k3f h GLU 122 N 0.70 0.41 -0.11 1.25 3.07 -1.99 0.65 114.58 118.56 2k3f h GLU 122 Ca 0.60 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.41 2k3f h GLU 122 Cb 1.01 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.82 2k3f h GLU 122 CO -0.40 0.27 -0.01 0.00 -1.40 0.00 0.00 179.01 177.47 2k3f h ALA 123 N 1.72 0.16 -0.91 3.43 0.00 -1.55 -2.70 119.26 119.41 2k3f h ALA 123 Ca 0.58 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.39 2k3f h ALA 123 Cb 1.12 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 2k3f h ALA 123 CO -0.52 -0.13 0.59 0.00 0.00 0.00 0.00 179.25 179.18 2k3f h ALA 124 N 0.71 1.64 -0.98 0.00 0.00 -0.50 -1.93 119.26 118.20 2k3f h ALA 124 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2k3f h ALA 124 Cb 0.41 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 2k3f h ALA 124 CO 0.01 0.16 0.62 0.52 0.00 0.00 0.00 179.25 180.56 2k3f h MET 125 N 0.88 0.94 -0.22 0.00 2.86 0.46 -1.33 114.93 118.52 2k3f h MET 125 Ca 0.43 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.99 2k3f h MET 125 Cb 0.45 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 2k3f h MET 125 CO -0.19 0.62 0.03 0.87 1.06 0.00 0.00 176.91 179.30 2k3f h LYS 126 N 0.97 0.37 0.18 1.72 6.56 -1.22 0.10 116.57 125.26 2k3f h LYS 126 Ca 0.47 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.96 2k3f h LYS 126 Cb 0.47 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.05 2k3f h LYS 126 CO -0.24 0.52 -0.38 0.82 -2.06 0.00 0.00 179.45 178.12 2k3f h ILE 127 N 0.17 0.00 -0.01 1.86 2.04 -1.09 0.38 117.51 120.87 2k3f h ILE 127 Ca 0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.96 2k3f h ILE 127 Cb 0.33 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 2k3f h ILE 127 CO 0.01 0.00 -0.28 0.40 0.00 0.00 0.00 178.15 178.28 2k3f h ILE 128 N -0.61 0.38 -0.89 -0.67 1.08 -1.26 0.86 117.51 116.40 2k3f h ILE 128 Ca -0.02 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.59 2k3f h ILE 128 Cb 0.58 0.38 -0.09 0.00 -3.07 0.00 0.00 36.82 34.62 2k3f h ILE 128 CO -0.16 0.00 0.51 -0.08 -0.69 0.00 0.00 178.15 177.73 2k3f h GLU 129 N -0.42 0.73 -0.02 2.37 4.81 -0.75 0.29 114.58 121.59 2k3f h GLU 129 Ca 0.06 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 2k3f h GLU 129 Cb 0.50 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.73 2k3f h GLU 129 CO -0.24 0.48 -0.54 0.78 -0.73 0.00 0.00 179.01 178.76 2k3f h GLY 130 N 0.75 0.46 -0.24 1.92 0.00 0.13 0.35 103.07 106.43 2k3f h GLY 130 Ca 0.47 -0.76 0.04 0.00 0.00 0.00 0.00 47.33 47.08 2k3f h GLY 130 CO -0.32 0.67 -0.54 -0.84 0.00 0.00 0.00 176.54 175.51 2k3f h THR 131 N -0.09 0.01 -0.40 4.70 2.02 0.10 0.28 112.91 119.52 2k3f h THR 131 Ca -0.06 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.20 2k3f h THR 131 Cb 1.24 0.01 -0.09 0.00 -1.74 0.00 0.00 68.15 67.57 2k3f h THR 131 CO 0.11 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 175.82 2k3f h ALA 132 N -0.16 0.14 -0.62 6.16 0.00 -0.39 -0.67 119.26 123.72 2k3f h ALA 132 Ca 0.05 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.20 2k3f h ALA 132 Cb 0.65 0.44 -0.11 0.00 0.00 0.00 0.00 17.79 18.76 2k3f h ALA 132 CO -0.50 -0.53 -0.42 -0.22 0.00 0.00 0.00 179.25 177.57 2k3f h LYS 133 N -0.10 -0.19 -0.09 0.00 3.64 0.36 0.16 116.57 120.35 2k3f h LYS 133 Ca 0.20 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.55 2k3f h LYS 133 Cb 0.40 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2k3f h LYS 133 CO -0.47 -0.13 -0.15 1.03 -2.27 0.00 0.00 179.45 177.46 2k3f h SER 134 N -0.20 0.13 -0.06 4.20 0.87 0.06 -2.84 113.55 115.72 2k3f h SER 134 Ca 0.20 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2k3f h SER 134 Cb 0.56 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2k3f h SER 134 CO -0.71 0.30 0.00 0.23 -0.53 0.00 0.00 176.83 176.12 2k3f n MET 135 N -4.29 1.24 -0.81 2.24 2.81 0.13 -4.76 117.12 113.68 2k3f n MET 135 Ca -0.01 -0.36 0.00 0.00 -1.81 0.00 0.00 57.70 55.52 2k3f n MET 135 Cb 0.26 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 2k3f n MET 135 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k3f n GLY 136 N 0.89 0.57 3.60 3.03 0.00 -0.84 -4.21 105.19 108.23 2k3f n GLY 136 Ca 0.14 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2k3f n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k3f s ILE 137 N -2.00 5.06 0.43 -0.61 1.01 0.32 -2.75 121.20 122.65 2k3f s ILE 137 Ca 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.67 2k3f s ILE 137 Cb 0.00 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 2k3f s ILE 137 CO 0.00 0.35 0.73 -0.70 0.00 0.00 0.00 174.94 175.31 2k3f s GLU 138 N 1.16 3.59 -0.08 2.79 2.12 -1.09 -2.99 118.70 124.19 2k3f s GLU 138 Ca 0.06 0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.57 2k3f s GLU 138 Cb -0.14 -2.45 -0.02 0.00 0.26 0.00 0.00 34.13 31.78 2k3f s GLU 138 CO 0.05 -0.08 -0.16 0.14 -0.54 0.00 0.00 175.26 174.67 2k3f s VAL 139 N -2.54 2.89 -0.47 3.70 -7.23 -1.26 -1.84 120.40 113.65 2k3f s VAL 139 Ca 0.47 -0.76 0.07 0.00 -1.81 0.00 0.00 61.98 59.96 2k3f s VAL 139 Cb -0.10 -2.16 0.26 0.00 0.56 0.00 0.00 36.38 34.94 2k3f s VAL 139 CO 0.40 0.56 0.61 1.33 -0.31 0.00 0.00 175.10 177.69 2k3f n VAL 140 N 2.90 0.39 0.16 1.32 0.24 0.30 -4.89 118.33 118.75 2k3f n VAL 140 Ca -0.18 -4.46 0.01 0.00 -2.04 0.00 0.00 64.34 57.68 2k3f n VAL 140 Cb 0.52 -1.93 0.07 0.00 -1.47 0.00 0.00 33.84 31.04 2k3f n VAL 140 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02